Abstract
The cubic structure of the cubane molecule, , gives rise to many unusual properties in the solid state. X-ray powder diffraction measurements of solid cubane reveal a large thermal expansion, followed by a strong first-order phase transition at 394 K from an orientationally ordered phase ( ) to a noncubic orientationally disordered phase ( or ). The resulting volume expansion is . Model calculations predict the correct low- and high-temperature phases. The orientational potential in the disordered phase resembles a rounded square well over a large angular range. Cubane thus represents an ideal example of a system with large-amplitude collective motions.
- Received 12 February 1997
DOI:https://doi.org/10.1103/PhysRevLett.78.4938
©1997 American Physical Society